Identification | Back Directory | [Name]
6-bromo-7-fluoroisatin | [CAS]
1336963-95-1 | [Synonyms]
EA105 6-bromo-7-fluoroisatin 6-bromo-7-fluoroindoline-2,3-dione 6-Bromo-7-fluoro-1H-indole-2,3-dione 1H-Indole-2,3-dione, 6-bromo-7-fluoro- 6-bromo-7-fluoro-2,3-dihydro-1H-indole-2,3-dione | [Molecular Formula]
C8H3BrFNO2 | [MDL Number]
MFCD27943837 | [MOL File]
1336963-95-1.mol | [Molecular Weight]
244.02 |
Chemical Properties | Back Directory | [density ]
1.907±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [pka]
7.42±0.20(Predicted) | [Appearance]
Yellow to brown Solid | [InChI]
InChI=1S/C8H3BrFNO2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13) | [InChIKey]
GVZVXBNHVMAAAK-UHFFFAOYSA-N | [SMILES]
N1C2=C(C=CC(Br)=C2F)C(=O)C1=O |
Hazard Information | Back Directory | [Uses]
6-?Bromo-?7-?fluoroindoline-?2,?3-?dione is a heterocyclic reagent used in the synthesis of electrophiles capable of targeting K-Ras oncogense in the treatment of cancer. | [Synthesis]
N-(3-bromo-2-fluorophenyl)-2-(hydroxyimino)acetamide (1.82 g, 7.03 mmol) was used as a raw material, which was slowly added to concentrated sulfuric acid (20 mL) at 60°C. Subsequently, the temperature of the reaction system was raised to 90°C and the reaction was maintained at this temperature for 3 hours. Upon completion of the reaction, the mixture was cooled to room temperature and carefully poured into ice water. The precipitated yellow precipitate was collected by filtration and dried to give 6-bromo-7-fluorodihydroindole-2,3-dione (1.41 g, 82% yield). The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 11.75 (s, 1H), 7.39 (dd, J = 5.7,7.9 Hz, 1H), 7.31 (d, J = 8.2 Hz, 1H). | [References]
[1] Patent: WO2015/54572, 2015, A1. Location in patent: Page/Page column 253 [2] Patent: WO2017/87528, 2017, A1. Location in patent: Page/Page column 180; 181 [3] Patent: WO2017/58915, 2017, A1. Location in patent: Page/Page column 102 [4] Patent: US2018/15087, 2018, A1. Location in patent: Paragraph 0320 [5] Patent: WO2011/119704, 2011, A1. Location in patent: Page/Page column 40 |
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Company Name: |
Energy Chemical
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021-021-58432009 400-005-6266 |
Website: |
http://www.energy-chemical.com |
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